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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    33528
    33528
    354287
    354287
    1027073
    1027073
    1049954
    1049954
    1460525
    1460525

    Draw Identity 99% 90% 80% 70%

    Popular Name: trimethylBLAHol trimethylBLAHol

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.53 0.89 -5.58 1 3 0 46 329.484 0 ↓

    Analogs

    1999557
    1999557

    Draw Identity 99% 90% 80% 70%

    Popular Name: terol terol

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.75 -2.05 -43.25 3 4 1 62 264.143 4 ↓

    Analogs

    647752
    647752
    1218555
    1218555

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-(2-chlorophenyl)-5-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)isoxazole-4-carboxamide 3-(2-chlorophenyl)-5-methyl-N-(6…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.26 10.57 -13.06 1 8 0 114 414.83 4 ↓

    Analogs

    3647660
    3647660
    29233099
    29233099
    29233105
    29233105

    Draw Identity 99% 90% 80% 70%

    Popular Name: olol olol

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.42 -0.36 -42.84 3 5 1 72 331.436 8 ↓

    Analogs

    2003697
    2003697

    Draw Identity 99% 90% 80% 70%

    Popular Name: 31252-S 31252-S

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.71 6.49 -37.83 2 4 1 51 273.356 4 ↓

    Analogs

    25796495
    25796495

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3,5-dimethylisoxazol-4-yl)methyl (3,5-dimethylisoxazol-4-yl)methyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.44 -0.09 -13.48 2 7 0 93 345.399 7 ↓

    Analogs

    25800112
    25800112

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-methylisoxazol-3-yl)methyl (5-methylisoxazol-3-yl)methyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.53 -0.38 -13.9 2 7 0 93 331.372 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-methylisoxazol-3-yl)carbamoylmethyl (5-methylisoxazol-3-yl)carbamoyl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.00 2.18 -14.61 1 8 0 99 413.224 8 ↓

    Analogs

    10167102
    10167102

    Draw Identity 99% 90% 80% 70%

    Popular Name: [2-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)-pyrrol-3-yl]-2-oxo-ethyl] [2-[2,5-dimethyl-1-(5-methylisox…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.38 3.4 -18.99 1 10 0 123 416.434 8 ↓

    Analogs

    43609090
    43609090

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(2S)-3-carbazol-9-yl-2-hydroxy-propyl]-methyl-amino]-N-(5-methylisoxazol-3-yl)acetamide 2-[[(2S)-3-carbazol-9-yl-2-hydro…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.92 9.06 -62.08 3 7 1 85 393.467 7 ↓
    Hi High (pH 8-9.5) 2.92 6.75 -18.77 2 7 0 84 392.459 7 ↓

    Analogs

    43609086
    43609086

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[[(2R)-3-carbazol-9-yl-2-hydroxy-propyl]-methyl-amino]-N-(5-methylisoxazol-3-yl)acetamide 2-[[(2R)-3-carbazol-9-yl-2-hydro…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.92 9.02 -62.16 3 7 1 85 393.467 7 ↓
    Hi High (pH 8-9.5) 2.92 6.7 -18.86 2 7 0 84 392.459 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3,5-dimethylisoxazol-4-yl)methyl (3,5-dimethylisoxazol-4-yl)methyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.71 4.36 -16.03 0 7 0 98 302.286 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [4-[(3,5-dimethylisoxazol-4-yl)methoxy]phenyl]-(4-fluorophenyl)-methanone [4-[(3,5-dimethylisoxazol-4-yl)m…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.06 3.83 -10.64 0 4 0 52 325.339 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-methylisoxazol-3-yl)-2-[(1-oxido-2-pyridyl)sulfanyl]acetamide N-(5-methylisoxazol-3-yl)-2-[(1-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.14 0.26 -31.53 1 6 0 80 265.294 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(5-methylisoxazol-3-yl)pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(5-me…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.03 2.31 -12.26 2 6 0 88 257.249 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4-hydroxybut-1-ynyl)-N-(5-methylisoxazol-3-yl)pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-(5-met…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.24 3.07 -10.9 2 6 0 88 271.276 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(3-methylisoxazol-5-yl)pyridine-3-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(3-me…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) -0.03 1.84 -19.18 2 6 0 88 257.249 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4-hydroxybut-1-ynyl)-N-(3-methylisoxazol-5-yl)pyridine-3-carboxamide 5-(4-hydroxybut-1-ynyl)-N-(3-met…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.24 2.62 -17.3 2 6 0 88 271.276 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[2,5-dimethyl-1-(5-methylisoxazol-3-yl)-pyrrol-3-yl]-2-[(1-oxido-2-pyridyl)sulfanyl]ethanone 1-[2,5-dimethyl-1-(5-methylisoxa…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.25 3.05 -35.16 0 6 0 73 343.408 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzothiazole 5-chloro-2-[(3,5-dimethylisoxazo…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.20 0.05 -9.45 0 3 0 38 310.831 3 ↓

    Analogs

    3386034
    3386034

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-methylisoxazol-3-yl)carbamoylmethyl (5-methylisoxazol-3-yl)carbamoyl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.46 6.71 -10.19 1 6 0 81 396.243 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(4-chlorophenyl)sulfonyl-pentyl-amino]-N-isoxazol-3-yl-acetamide 2-[(4-chlorophenyl)sulfonyl-pent…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.65 -2.33 -12.4 1 7 0 92 385.873 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1-adamantylcarbamoyl-butyl-amino)-N-isoxazol-3-yl-acetamide 2-(1-adamantylcarbamoyl-butyl-am…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.69 -0.4 -14.01 2 7 0 87 374.485 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(butylcarbamoyl-(tetrahydrofuran-2-ylmethyl)amino)-N-isoxazol-3-yl-acetamide 2-(butylcarbamoyl-(tetrahydrofur…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.14 -0.99 -15.76 2 8 0 96 324.381 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(butylcarbamoyl-(tetrahydrofuran-2-ylmethyl)amino)-N-isoxazol-3-yl-acetamide 2-(butylcarbamoyl-(tetrahydrofur…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.14 -0.92 -15.9 2 8 0 96 324.381 8 ↓

    Analogs

    4264827
    4264827

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-butoxypropyl)-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide N-(3-butoxypropyl)-3-(2,6-dichlo…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 4.39 -0.14 -10.53 1 5 0 64 385.291 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-(3-quinolyl)acetamide 2-[(3,5-dimethylisoxazol-4-yl)me…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.24 7.21 -19.22 1 5 0 68 327.409 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-ethoxypropyl)-2-ethyl-N-(isoxazol-3-ylcarbamoylmethyl)hexanamide N-(3-ethoxypropyl)-2-ethyl-N-(is…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.27 8.08 -16.56 1 7 0 85 353.463 13 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(3-ethoxypropyl)-2-ethyl-N-(isoxazol-3-ylcarbamoylmethyl)hexanamide N-(3-ethoxypropyl)-2-ethyl-N-(is…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.27 8.1 -16.37 1 7 0 85 353.463 13 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]e N-(5-methylisoxazol-3-yl)-2-[2-o…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.00 4.64 -28.56 1 10 0 118 462.557 8 ↓
    Mid Mid (pH 6-8) 1.00 6.85 -70.99 2 10 1 119 463.565 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(3,5-dimethylisoxazol-4-yl)methoxy]phenyl]methanon [(2R)-2-(3,4-dimethoxyphenyl)pyr…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.04 10.38 -19.68 0 7 0 74 436.508 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: [(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[4-[(3,5-dimethylisoxazol-4-yl)methoxy]phenyl]methanon [(2S)-2-(3,4-dimethoxyphenyl)pyr…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.04 10.41 -21.58 0 7 0 74 436.508 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-phenylisoxazol-3-yl)methyl (5-phenylisoxazol-3-yl)methyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.96 8.39 -18.04 1 8 0 102 391.383 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[2-(3,5-dimethylisoxazol-4-yl)acetyl]amino]-N,N-dimethyl-benzamide 3-[[2-(3,5-dimethylisoxazol-4-yl…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 0.72 5.37 -23.4 1 6 0 75 301.346 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[3-(p-tolyl)isoxazol-5-yl]-acetamide 2-[5-(4-fluorophenyl)tetrazol-2-…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.13 2.37 -24.55 1 8 0 98 378.367 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5-isopropyl-3-methyl-isoxazol-4-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]methanone (5-isopropyl-3-methyl-isoxazol-4…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.75 10.17 -21 0 7 0 77 353.426 3 ↓

    Analogs

    31355856
    31355856

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(3,5-dimethylisoxazol-4-yl)methoxy]-N-(3-phenylsulfanylpropyl)benzamide 4-[(3,5-dimethylisoxazol-4-yl)me…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.97 0.35 -15.31 1 5 0 64 396.512 9 ↓

    Analogs

    6588589
    6588589

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3,5-dimethylisoxazol-4-yl)methyl (3,5-dimethylisoxazol-4-yl)methyl

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.81 2.97 -10.46 1 7 0 94 320.345 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(allylBLAHyl)sulfanyl-N-(5-methylisoxazol-3-yl)-butanamide 2-(allylBLAHyl)sulfanyl-N-(5-met…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.65 0.74 -17.41 1 8 0 98 408.487 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(allylBLAHyl)sulfanyl-N-(5-methylisoxazol-3-yl)-butanamide 2-(allylBLAHyl)sulfanyl-N-(5-met…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.65 1.06 -13.78 1 8 0 98 408.487 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-cyclohex-3-enylmethyl)-N-[(5-methyl-3-phenyl-isoxazol-4-yl)methyl]tetrahydrofuran-2-carboxamide N-(1-cyclohex-3-enylmethyl)-N-[(…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.54 1.88 -14.95 0 5 0 55 380.488 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-cyclohex-3-enylmethyl)-N-[(5-methyl-3-phenyl-isoxazol-4-yl)methyl]tetrahydrofuran-2-carboxamide N-(1-cyclohex-3-enylmethyl)-N-[(…

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    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.54 11.26 -16.23 0 5 0 56 380.488 6 ↓

    Analogs

    4852005
    4852005
    4869818
    4869818

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(5-chloro-4,6-dimethyl-benzofuran-3-yl)-N-(5-methylisoxazol-3-yl)acetamide 2-(5-chloro-4,6-dimethyl-benzofu…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.41 7.71 -13.54 1 5 0 68 318.76 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-cyclohex-3-enylmethyl)-N-[(5-methyl-3-phenyl-isoxazol-4-yl)methyl]tetrahydrofuran-2-carboxamide N-(1-cyclohex-3-enylmethyl)-N-[(…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.54 10.94 -21.15 0 5 0 56 380.488 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(1-cyclohex-3-enylmethyl)-N-[(5-methyl-3-phenyl-isoxazol-4-yl)methyl]tetrahydrofuran-2-carboxamide N-(1-cyclohex-3-enylmethyl)-N-[(…

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 3.54 2.02 -15.58 0 5 0 55 380.488 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 2.15 6.44 -10.39 1 4 0 55 230.267 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Activity (Go SEA)

    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.83 1.33 -13.83 1 6 0 75 293.367 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[(2-chlorophenyl)methyl]-3,5-dimethyl-isoxazole-4-sulfonamide N-[(2-chlorophenyl)methyl]-3,5-d…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.89 -2.98 -9.22 1 5 0 72 300.767 4 ↓

    Analogs

    36880237
    36880237
    36880757
    36880757
    36880801
    36880801
    36880843
    36880843
    36880878
    36880878

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-cyclohexyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide N-cyclohexyl-3,5-dimethyl-1,2-ox…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.77 2.9 -9.59 1 5 0 72 258.343 3 ↓
    Hi High (pH 8-9.5) 1.77 2.54 -36.16 0 5 -1 74 257.335 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-4-(3-methoxyphenyl)-piperazine 1-(3,5-dimethylisoxazol-4-yl)sul…

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    Physical Representations

    Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
    Ref Reference (pH 7) 1.73 -3.86 -11.9 0 7 0 75 351.428 4 ↓

    Parameters Provided:

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    Structural Results Found: (before additional filtering)

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    //zinc12.docking.org/results/combination?ring.id=31&filter.purchasability=annotated

    Embed Link to Results

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